Figure 5
Kinetic simulation of gas-solid equilibrium. The kinetic scheme in Figure 3 was simulated in 50 iterations with the following restrictions. Black Curve: Reaction 8 where [Cn] = [Cx] = 0. Blue Curve : Reaction 8 where [Cn] = 0. Red Curve : Reaction 8. Starting concentrations: [···] = 5; [Cn] = 100 (constant); [Cx] = 200; (Cx) = 200 (400 in first curve). Rate constants: 0.0004: [Cn] = > [Cx]; 0.07: [Cx] = > (Cx); 0.007: (Cx) = > [Cx]; 0.2: (Cx) = > Cx. The curves represent 50 first and second-order iterations. For example, the concentration of (Cx) on iteration ii is: (Cx)ii = (Cx)i + (.07*[Cx]i) – (.007*(Cx)i) – (.2*(Cx)i). Equations for lines (t = time): black, (Cx) = 500 exp(-.223 t) blue, (Cx) = 224 exp(-.243 t) + 27.3 exp(-.029 t) red, (Cx) = 223 exp(-.243 t) + 15.5 exp(-.045 t) + 12.5.